Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27685978 | 1.00 | VCP (0.38) | VCPIDO1ALDH1A1MAPTMEN1 | |
| SCHEMBL27686021 | 0.84 | ALDH1A1 (0.37) | VCPIDO1ALDH1A1MAPTMEN1 | |
| SCHEMBL27700074 | 0.84 | KDM4E (0.43) | ALDH1A1MAPTMEN1KMT2AMTOR | |
| SCHEMBL27705039 | 0.84 | KDM4E (0.43) | ALDH1A1MAPTMEN1KMT2AMTOR | |
| SCHEMBL27682784 | 0.83 | NPC1 (0.41) | IDO1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27685979 | 0.82 | CYP1A2 (0.40) | IDO1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27680902 | 0.82 | CYP1A2 (0.40) | IDO1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27700082 | 0.82 | MEN1 (0.40) | ALDH1A1MAPTMEN1KMT2AMTOR | |
| SCHEMBL27680908 | 0.82 | IDO1 (0.40) | VCPIDO1ALDH1A1MAPTMEN1 | |
| SCHEMBL27680857 | 0.81 | SLC6A3 (0.42) | MTORPIK3CAPIK3CG |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101010317-A | 2, 4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | disclosed |